(10,11-Dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone | 473574-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: (10,11-Dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone
• 英文别名: (10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone；[10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl][5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]methanone；[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
• CAS: 473574-29-7
• 化学式: C₂₆H₂₈BClN₂O₄
• 分子量: 478.783
• InChiKey: LOLPXQHBNVMCCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (10,11-Dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone 、 2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate 在 silica gel 、 乙酸乙酯 、 正己烷 、 乙醚 、 正戊烷 作用下， 以afforded the title compound (0.270 g) as an amorphous yellow solid的产率得到3-[2-Chloro-5-methoxy-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-yl-carbonyl)phenyl]-2-methyl-cyclohex-2-en-1-one
  参考文献：
  名称：

  Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators

  摘要：

  本发明提供了新型三环二氮杂品化合物及利用它们治疗或预防疾病的方法和药物组合物，包括尿崩症、夜间遗尿症、夜尿症、尿失禁、出血和凝血障碍、充血性心力衰竭或诱导暂时延迟排尿，以及在增加血管阻力和冠状动脉收缩的情况下；以及治疗或预防通过催产素拮抗剂活性得到纠正或缓解的疾病，包括早产、痛经、子宫内膜炎，并在剖腹产前抑制分娩。这些化合物还可用于提高农场动物的生育率、生存率和同步发情，以及治疗中枢神经系统中催产素系统功能障碍，包括强迫症和神经精神障碍。

  公开号：

  US20020198196A1
• 作为产物：
  描述：

  (10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-(2-methoxy-4-iodo-5-chlorophenyl)-methanone 、 联硼酸频那醇酯 在 potassium acetate 作用下， 以 二甲基亚砜 为溶剂， 生成 (10,11-Dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-[5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone
  参考文献：
  名称：

  Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists

  摘要：

  本发明提供了一种新型的三环吡啶基羧酰胺，以及利用这些化合物的方法和药物组合物，用于治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病，包括预防和/或抑制早产、剖腹产前期抑制分娩、以及治疗痛经。这些化合物还可用于提高农场动物的生育率、提高存活率并同步动物的发情期；并且可能有助于预防和治疗中枢神经系统中催产素系统的功能障碍，包括强迫症(OCD)和神经精神障碍。

  公开号：

  US20030055046A1

文献信息

• Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators
  申请人：Wyeth

  公开号：US20020198196A1

  公开（公告）日：2002-12-26

  The present invention provides novel tricyclic diazepine compounds and methods and pharmaceutical compositions utilizing them for the treating or preventing disorders including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, congestive heart failure or for inducing temporary delay of urination, and in conditions with increased vascular resistance and coronary vasoconstriction; and for the treating or preventing disorders remedied or alleviated by oxytocin antagonist activity, including suppression of preterm labor, dysmenorrhea, endometritis, and for suppressing labor at term prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了新颖的三环二氮杂环烷化合物，以及利用它们用于治疗或预防包括尿崩症、夜尿症、夜尿频、尿失禁、出血和凝血障碍、充血性心力衰竭或暂时延迟排尿、以及在血管阻力增加和冠状血管收缩的情况下；以及用于治疗或预防通过催产素拮抗活性得到缓解或减轻的疾病，包括抑制早产、痛经、子宫内膜炎，以及在剖宫产前抑制分娩。这些化合物还可用于提高农场动物的生育率、生存率和同步动情期；以及治疗中枢神经系统中催产素系统功能障碍，包括强迫症（OCD）和神经精神障碍。
• Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US20030055046A1

  公开（公告）日：2003-03-20

  The present invention provides novel tricyclic pyridyl carboxamides as well as methods and pharmaceutical compositions utilizing them compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including prevention and/or suppression of preterm labor, suppression of labor at term prior to caesarean delivery, and for the treatment of dysmenorrhea. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了一种新型的三环吡啶基羧酰胺，以及利用这些化合物的方法和药物组合物，用于治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病，包括预防和/或抑制早产、剖腹产前期抑制分娩、以及治疗痛经。这些化合物还可用于提高农场动物的生育率、提高存活率并同步动物的发情期；并且可能有助于预防和治疗中枢神经系统中催产素系统的功能障碍，包括强迫症(OCD)和神经精神障碍。
• Pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists
  申请人：Failli Amedeo Arturo

  公开号：US06903087B2

  公开（公告）日：2005-06-07

  The present invention provides novel tricyclic pyridyl carboxamides as well as methods and pharmaceutical compositions utilizing them compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including prevention and/or suppression of preterm labor, suppression of labor at term prior to caesarean delivery, and for the treatment of dysmenorrhea. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了新型三环吡啶基羧酰胺化合物，以及利用这些化合物的方法和制药组合物，用于治疗和/或预防和/或抑制可能通过催产素拮抗剂活性得到缓解或减轻的疾病，包括预防和/或抑制早产、在剖腹产前的足月分娩抑制和治疗痛经。这些化合物还可用于提高农场动物的生育率、提高生存率和同步发情；并可用于预防和治疗中枢神经系统中催产素系统功能障碍，包括强迫症(OCD)和神经精神障碍。
• Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists
  申请人：Wyeth

  公开号：US07326700B2

  公开（公告）日：2008-02-05

  The present invention provides tricyclic carboxamide compounds and methods and pharmaceutical compositions for their use in treatment, prevention, or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including prevention and/or suppression of preterm labor, suppression of labor at term prior to caesarean deliver, and for the treatment of dysmenorrhea. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了三环羧酰胺类化合物以及它们的使用方法和制药组合物，用于治疗、预防或抑制可能通过催产素拮抗活性得到缓解或减轻的疾病，包括预防和/或抑制早产、剖腹产前晚期抑制分娩，以及治疗痛经。这些化合物还可用于提高农业动物的生育率、生存率和同步发情，可能有助于预防和治疗中枢神经系统中催产素系统的功能障碍，包括强迫症(OCD)和神经精神障碍。
• Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists
  申请人：Failli Amedeo Arturo

  公开号：US06977254B2

  公开（公告）日：2005-12-20

  The present invention provides substituted 10,11-Dihydro-5H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine and 9,10-Dihydro-4H-3a,5,9-triaza-benzo[f]azulene compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including prevention and/or suppression of preterm labor, suppression labor at term prior to caesarean deliver, and for the treatment of dysmenorrhea. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals.

  本发明提供了替代的10,11-二氢-5H-苯并[e]-吡咯并[1,2-a][1,4]二氮杂环和9,10-二氢-4H-3a,5,9-三氮杂苯[f]蓝化合物，以及利用这些化合物的方法和制药组合物，用于治疗和/或预防和/或抑制可以通过催产素拮抗剂活性得到治疗或缓解的疾病，包括预防和/或抑制早产、在剖腹产前期抑制分娩和治疗痛经。这些化合物还可用于提高农业动物的生育率、生存率和同步发情。